6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine

C14H29NO2S — CID 106808096

IUPAC6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)CC1CCCO1
InChIInChI=1S/C14H29NO2S/c1-3-9-15-13(4-2)7-6-11-18(16)12-14-8-5-10-17-14/h13-15H,3-12H2,1-2H3
InChIKeySVOZXAXERVAWBX-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.47
Rot. Bonds10

About 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine

6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine (PubChem CID 106808096) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
PubChem CID106808096
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)CC1CCCO1
InChIInChI=1S/C14H29NO2S/c1-3-9-15-13(4-2)7-6-11-18(16)12-14-8-5-10-17-14/h13-15H,3-12H2,1-2H3
InChIKeySVOZXAXERVAWBX-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
2-(3-azidopropylsulfinylmethyl)oxolane
CID 106495363
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
CID 106808036
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine?
The IUPAC name of 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine (CID 106808096) is 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)CC1CCCO1.
What is the InChIKey of 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine?
The InChIKey is SVOZXAXERVAWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-9-15-13(4-2)7-6-11-18(16)12-14-8-5-10-17-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine?
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine has a molecular weight of 275.46 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine is sourced from PubChem (CID 106808096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).